2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 110848894

IUPAC2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyZFYQCLKNHLNHQO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110848894) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110848894
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyZFYQCLKNHLNHQO-UHFFFAOYSA-N
XLogP0.70
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110848894) is 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is ZFYQCLKNHLNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-12-7-9(10(15)13-8)11(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110848894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).